3-[(3-azanyl-1,2-benzoxazol-5-yl)amino]-1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one

Systemtic Name: 3-[(3-azanyl-1,2-benzoxazol-5-yl)amino]-1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one Openeye Name: 3-[(3-amino-1,2-benzoxazol-5-yl)amino]-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one CAS Name: 3-[(3-amino-1,2-benzoxazol-5-yl)amino]-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-piperidinone IUPAC Name: 3-[(3-amino-1,2-benzoxazol-5-yl)amino]-1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]piperidin-2-one Traditional Name: 3-[(3-aminoindoxazen-5-yl)amino]-1-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-piperidone Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NC4=CC5=C(C=C4)ON=C5N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)N3CCCC(C3=O)NC4=CC5=C(C=C4)ON=C5N)F

InChI

InChI=1S/C25H23FN4O4S/c1-35(32,33)23-7-3-2-5-17(23)15-8-10-21(19(26)13-15)30-12-4-6-20(25(30)31)28-16-9-11-22-18(14-16)24(27)29-34-22/h2-3,5,7-11,13-14,20,28H,4,6,12H2,1H3,(H2,27,29)